2,2-diethyl-N,N-dimethyladamantan-1-amine

C16H29N — CID 71450361

IUPAC2,2-diethyl-N,N-dimethyladamantan-1-amine
SMILESCCC1(CC)C2CC3CC(C2)CC1(N(C)C)C3
InChIInChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3
InChIKeyUJOAOIJAOPUIOZ-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.93
Rot. Bonds3

About 2,2-diethyl-N,N-dimethyladamantan-1-amine

2,2-diethyl-N,N-dimethyladamantan-1-amine (PubChem CID 71450361) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2,2-diethyl-N,N-dimethyladamantan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N,N-dimethyladamantan-1-amine
PubChem CID71450361
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2,2-diethyl-N,N-dimethyladamantan-1-amine
SMILESCCC1(CC)C2CC3CC(C2)CC1(N(C)C)C3
InChIInChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3
InChIKeyUJOAOIJAOPUIOZ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N-dimethyladamantan-1-amine?
The IUPAC name of 2,2-diethyl-N,N-dimethyladamantan-1-amine (CID 71450361) is 2,2-diethyl-N,N-dimethyladamantan-1-amine.
What is the SMILES notation for 2,2-diethyl-N,N-dimethyladamantan-1-amine?
The canonical SMILES for 2,2-diethyl-N,N-dimethyladamantan-1-amine is CCC1(CC)C2CC3CC(C2)CC1(N(C)C)C3.
What is the InChIKey of 2,2-diethyl-N,N-dimethyladamantan-1-amine?
The InChIKey is UJOAOIJAOPUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2,2-diethyl-N,N-dimethyladamantan-1-amine?
2,2-diethyl-N,N-dimethyladamantan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N-dimethyladamantan-1-amine is sourced from PubChem (CID 71450361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).